! this file is read first, can be changed by the data in *.get
N[0]=256           ! number of molecules
cutoff=10          ! cutoff in [AA]; max density 1488 kg/m3
LJcutoff=cutoff    ! Lennard-Jones cutodd
! rdf.grid=100     ! optional: grid for RDF
! rdf.cutoff=cutoff! optional: RDF range
rho=775            ! initial and reference density [kg/m3]
corr=0             ! no cutoff corrections (this is not standard)
noint=4            ! MD steps per cycle
h=0.01/noint       ! timestep [ps]
T=77               ! temperature [K]
tau.T=0.25         ! thermostat time constant (good for Berendsen and MTK)
P=200000           ! pressure [Pa]
dt.prt=1           ! how often to write a line of info [ps]
;
